SCHEMBL3316499

SCHEMBL3316499

O=C(NC(Cc1ccc2nc(-c3ccccc3)ccc2c1)C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.62
ITGAV P06756 1/20 0.62
CA2 P00918 3/20 0.55
PTPN1 P18031 5/20 0.55
PIN1 Q13526 2/20 0.55
PTPN2 P17706 1/20 0.53
CDC25B P30305 1/20 0.53
ACE P12821 3/20 0.51
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
MME P08473 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
GPR132 Q9UNW8 1/20 0.46
CA1 P00915 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4419511 0.87 ITGB1 (0.83) ITGB1ITGAVCA2PTPN1PIN1
SCHEMBL4409576 0.86 ITGB1 (0.85) ITGB1ITGAVPIN1
SCHEMBL4625481 0.84 ITGB1 (0.54) ITGB1ITGAVCA2PTPN1PIN1
SCHEMBL9461437 0.82 CA2 (0.76) CA2PTPN1PIN1PTPN2CDC25B
SCHEMBL9461307 0.82 CA2 (0.76) CA2PTPN1PIN1PTPN2CDC25B
SCHEMBL9461306 0.82 CA2 (0.76) CA2PTPN1PIN1PTPN2CDC25B
SCHEMBL4627715 0.81 PTPN1 (0.58) ITGB1ITGAVPTPN1PIN1ACE
SCHEMBL3313527 0.80 ITGB1 (0.79) ITGB1ITGAV
SCHEMBL5401503 0.80 ITGAV (0.51) ITGB1ITGAVACECTSLCTSB
SCHEMBL5401494 0.80 ITGAV (0.51) ITGB1ITGAVACECTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 US disclosed
CN-101200450-A 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as vla-4 inhibitors UCB PHARMA SA (BE) 2008-06-18 CN disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 US disclosed
EP-1870402-A1 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors UCB Pharma, S.A. (BE) 2007-12-26 EP disclosed
CN-1649842-A 2, 6-quinolyl and 2, 6-naphthyl derivatives, processes for their preparation and their use as VLA-4 inhibitors UCB SA (BE) 2005-08-03 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H ITGB1 781/4885ITGAV 425/4885CA2 2862/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B ITGB1 274/4885ITGAV 65/4885CA2 2392/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.